N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide

C24H35N3O3 — CID 1197157

IUPACN-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1coc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)CC)n1
InChIInChI=1S/C24H35N3O3/c1-8-16(3)25-22(28)20-15-30-21(26-20)14-27(17(4)9-2)23(29)18-10-12-19(13-11-18)24(5,6)7/h10-13,15-17H,8-9,14H2,1-7H3,(H,25,28)/t16-,17+/m1/s1
InChIKeyIUQWTCLVUBTTPT-SJORKVTESA-N
MW413.56 g/mol
LogP4.94
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide

N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 1197157) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID1197157
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1coc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)CC)n1
InChIInChI=1S/C24H35N3O3/c1-8-16(3)25-22(28)20-15-30-21(26-20)14-27(17(4)9-2)23(29)18-10-12-19(13-11-18)24(5,6)7/h10-13,15-17H,8-9,14H2,1-7H3,(H,25,28)/t16-,17+/m1/s1
InChIKeyIUQWTCLVUBTTPT-SJORKVTESA-N
XLogP4.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[butan-2-yl-(4-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3950023
N-[(2S)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 7301651
N-[(2R)-butan-2-yl]-2-[[[(2R)-butan-2-yl]-(3-methylbutanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 7399785
N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654857
N-butan-2-yl-2-[[butan-2-yl-(2,4-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 5128901
N-[(2S)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-[(2R)-2-chloro-2-phenylacetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7217557
N-butan-2-yl-2-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4665787
N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93158009
2-[[(4-butoxybenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42766154
N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42834911
N-[(2S)-butan-2-yl]-2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-oxazole-4-carboxamide
CID 7499406
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001283

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 1197157) is N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide is CC[C@@H](C)NC(=O)c1coc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)CC)n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IUQWTCLVUBTTPT-SJORKVTESA-N. The full InChI is InChI=1S/C24H35N3O3/c1-8-16(3)25-22(28)20-15-30-21(26-20)14-27(17(4)9-2)23(29)18-10-12-19(13-11-18)24(5,6)7/h10-13,15-17H,8-9,14H2,1-7H3,(H,25,28)/t16-,17+/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 1197157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).