N-butyl-3-methoxy-1,2-oxazole-5-carboxamide

C9H14N2O3 — CID 90573751

IUPACN-butyl-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(OC)no1
InChIInChI=1S/C9H14N2O3/c1-3-4-5-10-9(12)7-6-8(13-2)11-14-7/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyJKHZDMUCYMXYSB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.21
Rot. Bonds5

About N-butyl-3-methoxy-1,2-oxazole-5-carboxamide

N-butyl-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 90573751) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-butyl-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID90573751
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-butyl-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(OC)no1
InChIInChI=1S/C9H14N2O3/c1-3-4-5-10-9(12)7-6-8(13-2)11-14-7/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyJKHZDMUCYMXYSB-UHFFFAOYSA-N
XLogP1.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574079
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
N-cyclopentyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573780
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-butyl-3-methoxy-1,2-oxazole-5-carboxamide (CID 90573751) is N-butyl-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-butyl-3-methoxy-1,2-oxazole-5-carboxamide is CCCCNC(=O)c1cc(OC)no1.
What is the InChIKey of N-butyl-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is JKHZDMUCYMXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-4-5-10-9(12)7-6-8(13-2)11-14-7/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-butyl-3-methoxy-1,2-oxazole-5-carboxamide?
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90573751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).