2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide

C22H23N7O3 — CID 67352787

IUPAC2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCNc1ncc2c(n1)N1CCCC1CN(c1cccc(-c3nc(C(N)=O)co3)c1)C2=O
InChIInChI=1S/C22H23N7O3/c1-2-24-22-25-10-16-19(27-22)28-8-4-7-15(28)11-29(21(16)31)14-6-3-5-13(9-14)20-26-17(12-32-20)18(23)30/h3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3,(H2,23,30)(H,24,25,27)
InChIKeyYWHQZZVVPVZVSJ-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.29
Rot. Bonds5

About 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide

2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 67352787) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID67352787
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCNc1ncc2c(n1)N1CCCC1CN(c1cccc(-c3nc(C(N)=O)co3)c1)C2=O
InChIInChI=1S/C22H23N7O3/c1-2-24-22-25-10-16-19(27-22)28-8-4-7-15(28)11-29(21(16)31)14-6-3-5-13(9-14)20-26-17(12-32-20)18(23)30/h3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3,(H2,23,30)(H,24,25,27)
InChIKeyYWHQZZVVPVZVSJ-UHFFFAOYSA-N
XLogP2.29
TPSA130.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

Dgat1-IN-3
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CID 16757108
(S)-2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid-[2-(3-Hydroxypyrrolidin-1-yl)pyrimidin-5-yl]amide
CID 54582083
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[ethyl-(2-methoxy-ethyl)-amino]-pyridin-3-yl}-amide
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5-Ethyl-2-phenyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 57401961
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid [6-(2-methoxy-ethylamino)-pyridin-3-yl]-amide
CID 57403714
N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 42248202
2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 46231312
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 145975397
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 16067542
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836623
5-(3-methylphenyl)-N-[1-[2-(quinazolin-2-ylamino)ethyl]imidazol-4-yl]-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide (CID 67352787) is 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide is CCNc1ncc2c(n1)N1CCCC1CN(c1cccc(-c3nc(C(N)=O)co3)c1)C2=O.
What is the InChIKey of 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YWHQZZVVPVZVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-2-24-22-25-10-16-19(27-22)28-8-4-7-15(28)11-29(21(16)31)14-6-3-5-13(9-14)20-26-17(12-32-20)18(23)30/h3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3,(H2,23,30)(H,24,25,27).
What are the key properties of 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide?
2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67352787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).