N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide

C8H11FN2O2 — CID 130725745

IUPACN-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C)CF
InChIInChI=1S/C8H11FN2O2/c1-5(3-9)11-8(12)7-6(2)10-4-13-7/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyHYTFDMQMWHCQOQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.07
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide

N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 130725745) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID130725745
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC NameN-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C)CF
InChIInChI=1S/C8H11FN2O2/c1-5(3-9)11-8(12)7-6(2)10-4-13-7/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyHYTFDMQMWHCQOQ-UHFFFAOYSA-N
XLogP1.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyloxazole-5-carboxamide
CID 78581
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone
CID 59268945
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 71667510
5-Oxazolecarboxamide, N-acetyl-4-methyl-
CID 539390
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373
5-({1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201698
4-(Methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 110203571
4-Methyl-5-t-butylcarboxamidooxazole
CID 20325314
4-methyl-N-(3-methylpentan-3-yl)-1,3-oxazole-5-carboxamide
CID 72109842
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
N-cyclopentyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026185
2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 95132413

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide (CID 130725745) is N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC(C)CF.
What is the InChIKey of N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is HYTFDMQMWHCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-5(3-9)11-8(12)7-6(2)10-4-13-7/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 186.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 130725745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).