N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide

C22H34N4O3 — CID 93155495

IUPACN-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@@H](C)C(C)C)c1
InChIInChI=1S/C22H34N4O3/c1-16(2)17(3)26(13-18-8-7-9-19(12-18)28-6)14-21-24-20(15-29-21)22(27)23-10-11-25(4)5/h7-9,12,15-17H,10-11,13-14H2,1-6H3,(H,23,27)/t17-/m0/s1
InChIKeySEIAXYXEMQCUIW-KRWDZBQOSA-N
MW402.54 g/mol
LogP3.02
Rot. Bonds11

About N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 93155495) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID93155495
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@@H](C)C(C)C)c1
InChIInChI=1S/C22H34N4O3/c1-16(2)17(3)26(13-18-8-7-9-19(12-18)28-6)14-21-24-20(15-29-21)22(27)23-10-11-25(4)5/h7-9,12,15-17H,10-11,13-14H2,1-6H3,(H,23,27)/t17-/m0/s1
InChIKeySEIAXYXEMQCUIW-KRWDZBQOSA-N
XLogP3.02
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42835084
2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42835092
N-(2-methoxyethyl)-2-[[(3-phenoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156712
2-[[(3-methoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 93157177
2-[[(3,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 46149281
N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835099
N-benzyl-2-[[[(2R)-3-methylbutan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156329
N-ethyl-2-[[(4-methoxyphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42831339
2-[[1,3-benzodioxol-5-ylmethyl(3-methylbutan-2-yl)amino]methyl]-N-benzyl-1,3-oxazole-4-carboxamide
CID 42831995
2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3801530
N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784
2-[[(3-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 3945915

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 93155495) is N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide is COc1cccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)[C@@H](C)C(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SEIAXYXEMQCUIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16(2)17(3)26(13-18-8-7-9-19(12-18)28-6)14-21-24-20(15-29-21)22(27)23-10-11-25(4)5/h7-9,12,15-17H,10-11,13-14H2,1-6H3,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93155495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).