N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide

C23H25N3O3 — CID 121258460

IUPACN-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5oc(=O)[nH]c5c4)CC3)ccc2N1
InChIInChI=1S/C23H25N3O3/c1-22(2,3)19-11-13-10-15(5-6-16(13)25-19)24-20(27)23(8-9-23)14-4-7-18-17(12-14)26-21(28)29-18/h4-7,10,12,19,25H,8-9,11H2,1-3H3,(H,24,27)(H,26,28)
InChIKeySCZUTFWTAVHKCP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.17
Rot. Bonds3

About N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide

N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 121258460) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
PubChem CID121258460
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5oc(=O)[nH]c5c4)CC3)ccc2N1
InChIInChI=1S/C23H25N3O3/c1-22(2,3)19-11-13-10-15(5-6-16(13)25-19)24-20(27)23(8-9-23)14-4-7-18-17(12-14)26-21(28)29-18/h4-7,10,12,19,25H,8-9,11H2,1-3H3,(H,24,27)(H,26,28)
InChIKeySCZUTFWTAVHKCP-UHFFFAOYSA-N
XLogP4.17
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide
CID 89329046
1-(4-chlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019851
2-amino-1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 82764078
4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
CID 51125644
N-[2-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]-2-methylpropyl]carbamate
CID 159502021
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 39215283
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 55121279
tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate
CID 121258457
2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 81179560

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide (CID 121258460) is N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide is CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5oc(=O)[nH]c5c4)CC3)ccc2N1.
What is the InChIKey of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is SCZUTFWTAVHKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-22(2,3)19-11-13-10-15(5-6-16(13)25-19)24-20(27)23(8-9-23)14-4-7-18-17(12-14)26-21(28)29-18/h4-7,10,12,19,25H,8-9,11H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 121258460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).