N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

C14H21N3O3 — CID 86796544

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1coc(CC2CC2)n1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)17-11(18)7-15-13(19)10-8-20-12(16-10)6-9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWGYLMDKSKVHNMX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.27
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 86796544) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID86796544
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1coc(CC2CC2)n1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)17-11(18)7-15-13(19)10-8-20-12(16-10)6-9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWGYLMDKSKVHNMX-UHFFFAOYSA-N
XLogP1.27
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (CID 86796544) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1coc(CC2CC2)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WGYLMDKSKVHNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)17-11(18)7-15-13(19)10-8-20-12(16-10)6-9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86796544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).