3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide

C28H30N4O4 — CID 42397912

IUPAC3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)[C@@H]2CCCO2)nc1CNC(=O)c1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C28H30N4O4/c1-15-11-12-16(2)24-23(15)17(3)25(32-24)27(34)29-14-21-18(4)36-28(31-21)19-8-5-6-9-20(19)30-26(33)22-10-7-13-35-22/h5-6,8-9,11-12,22,32H,7,10,13-14H2,1-4H3,(H,29,34)(H,30,33)/t22-/m0/s1
InChIKeyXAADKRULFGJHEI-QFIPXVFZSA-N
MW486.57 g/mol
LogP5.10
Rot. Bonds6

About 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide

3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 42397912) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide
PubChem CID42397912
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)[C@@H]2CCCO2)nc1CNC(=O)c1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C28H30N4O4/c1-15-11-12-16(2)24-23(15)17(3)25(32-24)27(34)29-14-21-18(4)36-28(31-21)19-8-5-6-9-20(19)30-26(33)22-10-7-13-35-22/h5-6,8-9,11-12,22,32H,7,10,13-14H2,1-4H3,(H,29,34)(H,30,33)/t22-/m0/s1
InChIKeyXAADKRULFGJHEI-QFIPXVFZSA-N
XLogP5.10
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 45165679
(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 42162249
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
CID 17361713
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 42321965
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
CID 118755607
3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide
CID 26360852
N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]oxolane-2-carboxamide
CID 71804951
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
CID 20955573

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide (CID 42397912) is 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide is Cc1oc(-c2ccccc2NC(=O)[C@@H]2CCCO2)nc1CNC(=O)c1[nH]c2c(C)ccc(C)c2c1C.
What is the InChIKey of 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is XAADKRULFGJHEI-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-15-11-12-16(2)24-23(15)17(3)25(32-24)27(34)29-14-21-18(4)36-28(31-21)19-8-5-6-9-20(19)30-26(33)22-10-7-13-35-22/h5-6,8-9,11-12,22,32H,7,10,13-14H2,1-4H3,(H,29,34)(H,30,33)/t22-/m0/s1.
What are the key properties of 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide?
3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 5.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-[[5-methyl-2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]-1,3-oxazol-4-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 42397912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).