2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide

C22H28N4O4 — CID 167759305

IUPAC2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2coc(C3CCC3)n2)CC1)c1coc(C2CCC2)n1
InChIInChI=1S/C22H28N4O4/c27-19(17-11-29-21(25-17)13-3-1-4-13)23-15-7-9-16(10-8-15)24-20(28)18-12-30-22(26-18)14-5-2-6-14/h11-16H,1-10H2,(H,23,27)(H,24,28)
InChIKeyQKTJWZMOLQAKAI-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.67
Rot. Bonds6

About 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide

2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide (PubChem CID 167759305) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
PubChem CID167759305
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2coc(C3CCC3)n2)CC1)c1coc(C2CCC2)n1
InChIInChI=1S/C22H28N4O4/c27-19(17-11-29-21(25-17)13-3-1-4-13)23-15-7-9-16(10-8-15)24-20(28)18-12-30-22(26-18)14-5-2-6-14/h11-16H,1-10H2,(H,23,27)(H,24,28)
InChIKeyQKTJWZMOLQAKAI-UHFFFAOYSA-N
XLogP3.67
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
2-cyclobutyl-N-(2-oxo-1-pyridinyl)-1,3-oxazole-4-carboxamide
CID 166233624
N-cyclobutylsulfonyl-2-cyclopropyl-1,3-oxazole-4-carboxamide
CID 167760220
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid
CID 138692159
2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
N-(6-carbamoyl-3-pyridinyl)-2-cyclobutyl-1,3-oxazole-4-carboxamide
CID 126784346
(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
CID 138501083
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
CID 167966362
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide (CID 167759305) is 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide is O=C(NC1CCC(NC(=O)c2coc(C3CCC3)n2)CC1)c1coc(C2CCC2)n1.
What is the InChIKey of 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QKTJWZMOLQAKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c27-19(17-11-29-21(25-17)13-3-1-4-13)23-15-7-9-16(10-8-15)24-20(28)18-12-30-22(26-18)14-5-2-6-14/h11-16H,1-10H2,(H,23,27)(H,24,28).
What are the key properties of 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide?
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167759305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).