3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide

C14H21N3O3 — CID 110625090

IUPAC3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C14H21N3O3/c1-8-11(12(17-20-8)14(2,3)4)13(19)15-7-10(18)16-9-5-6-9/h9H,5-7H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyBXYULLHDFYQBQQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.29
Rot. Bonds4

About 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110625090) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110625090
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C14H21N3O3/c1-8-11(12(17-20-8)14(2,3)4)13(19)15-7-10(18)16-9-5-6-9/h9H,5-7H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyBXYULLHDFYQBQQ-UHFFFAOYSA-N
XLogP1.29
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110415381
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CID 43583025
3-tert-butyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110419534
N-cyclopropyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]acetamide
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4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
3-tert-butyl-5-methyl-N-[2-(phenylsulfamoyl)ethyl]-1,2-oxazole-4-carboxamide
CID 110606779
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797691
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110605804
3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 110608906
tert-butyl N-[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558875

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 110625090) is 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)NCC(=O)NC1CC1.
What is the InChIKey of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BXYULLHDFYQBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-11(12(17-20-8)14(2,3)4)13(19)15-7-10(18)16-9-5-6-9/h9H,5-7H2,1-4H3,(H,15,19)(H,16,18).
What are the key properties of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110625090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).