N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide

C8H11F2N3O2 — CID 114383511

IUPACN-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H11F2N3O2/c1-5-6(15-4-13-5)7(14)12-3-8(9,10)2-11/h4H,2-3,11H2,1H3,(H,12,14)
InChIKeyAUGTUVZPNUYWLE-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.31
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 114383511) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID114383511
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H11F2N3O2/c1-5-6(15-4-13-5)7(14)12-3-8(9,10)2-11/h4H,2-3,11H2,1H3,(H,12,14)
InChIKeyAUGTUVZPNUYWLE-UHFFFAOYSA-N
XLogP0.31
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
4-Methyl-5-t-butylcarboxamidooxazole
CID 20325314
4-methyl-N-(3-methylpentan-3-yl)-1,3-oxazole-5-carboxamide
CID 72109842
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 164636294
4-(Trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 57461805
[(2R)-3-carboxy-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 68743438
trimethyl-[(2R)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-4-oxo-4-(2,2,2-trifluoroacetyl)oxybutyl]azanium
CID 87558165

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 114383511) is N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is AUGTUVZPNUYWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-5-6(15-4-13-5)7(14)12-3-8(9,10)2-11/h4H,2-3,11H2,1H3,(H,12,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 219.19 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114383511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).