5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide

C14H15N3O3 — CID 138055679

IUPAC5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)Nc1ccc2oc(C(N)=O)nc2c1
InChIInChI=1S/C14H15N3O3/c1-14(2)6-8(14)12(19)16-7-3-4-10-9(5-7)17-13(20-10)11(15)18/h3-5,8H,6H2,1-2H3,(H2,15,18)(H,16,19)/t8-/m1/s1
InChIKeyMDSRDDMFRRLVGU-MRVPVSSYSA-N
MW273.29 g/mol
LogP1.91
Rot. Bonds3

About 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide

5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide (PubChem CID 138055679) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide
PubChem CID138055679
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)Nc1ccc2oc(C(N)=O)nc2c1
InChIInChI=1S/C14H15N3O3/c1-14(2)6-8(14)12(19)16-7-3-4-10-9(5-7)17-13(20-10)11(15)18/h3-5,8H,6H2,1-2H3,(H2,15,18)(H,16,19)/t8-/m1/s1
InChIKeyMDSRDDMFRRLVGU-MRVPVSSYSA-N
XLogP1.91
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide
CID 126834368
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
cis-(1R,3S)-2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065416
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate
CID 75448517
N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107002039
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739
4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
methyl 5-(1,2,2-tricyanoethenylamino)-1,3-benzoxazole-2-carboxylate
CID 168608931

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide (CID 138055679) is 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide is CC1(C)C[C@@H]1C(=O)Nc1ccc2oc(C(N)=O)nc2c1.
What is the InChIKey of 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide?
The InChIKey is MDSRDDMFRRLVGU-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(2)6-8(14)12(19)16-7-3-4-10-9(5-7)17-13(20-10)11(15)18/h3-5,8H,6H2,1-2H3,(H2,15,18)(H,16,19)/t8-/m1/s1.
What are the key properties of 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide?
5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 138055679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).