methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate

C15H24N2O4 — CID 43407276

IUPACmethyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C15H24N2O4/c1-8(2)7-11(15(19)20-6)16-14(18)12-10(5)17-21-13(12)9(3)4/h8-9,11H,7H2,1-6H3,(H,16,18)
InChIKeyAXTXHKBVVCZNSI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.42
Rot. Bonds6

About methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate

methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate (PubChem CID 43407276) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate
PubChem CID43407276
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C15H24N2O4/c1-8(2)7-11(15(19)20-6)16-14(18)12-10(5)17-21-13(12)9(3)4/h8-9,11H,7H2,1-6H3,(H,16,18)
InChIKeyAXTXHKBVVCZNSI-UHFFFAOYSA-N
XLogP2.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate with MolForge

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Related Compounds

(2R)-4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 78975366
4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 43353375
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
benzyl (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4-methylpentanoate
CID 56805682
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 95593417
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890
prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 60593172
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
CID 82799828
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate (CID 43407276) is methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate?
The InChIKey is AXTXHKBVVCZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-8(2)7-11(15(19)20-6)16-14(18)12-10(5)17-21-13(12)9(3)4/h8-9,11H,7H2,1-6H3,(H,16,18).
What are the key properties of methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate?
methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate has a molecular weight of 296.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 43407276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).