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

C8H11FN2O2 — CID 131067354

IUPACN-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)CF)o1
InChIInChI=1S/C8H11FN2O2/c1-5(3-9)11-7(12)8-10-4-6(2)13-8/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyUYYUBTWTCKKQTN-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.07
Rot. Bonds3

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

N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 131067354) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID131067354
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC NameN-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)CF)o1
InChIInChI=1S/C8H11FN2O2/c1-5(3-9)11-7(12)8-10-4-6(2)13-8/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyUYYUBTWTCKKQTN-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

2,2,2-Trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-one
CID 137965662
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
2,2,2-Trifluoro-1-(5-methyloxazol-2-yl)ethan-1-aminium chloride
CID 168474941
t-Butyl [2,2,2-trifluoro-1-(5-methyloxazol-2-yl)ethyl]-carbamate
CID 168475044
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71873202
2-[(5-Methyl-1,3-oxazol-2-yl)methyl-propan-2-ylamino]acetamide
CID 71989151
5-(Trifluoromethyl)-1,3-oxazole-2-carboxamide
CID 21928632
5-[1-(2,2,2-Trifluoroethylamino)ethyl]-1,3-oxazole-2-carboxamide
CID 69354252
N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458100
1-[5-(2,2,2-Trifluoroethyl)-1,3-oxazol-2-yl]ethanamine
CID 65179008

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide (CID 131067354) is N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)NC(C)CF)o1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is UYYUBTWTCKKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-5(3-9)11-7(12)8-10-4-6(2)13-8/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide?
N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-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)-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 131067354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).