2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

C15H13F2N3O4 — CID 71788429

IUPAC2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C15H13F2N3O4/c16-14(17)24-10-3-1-2-9(6-10)18-13(22)11-7-23-15(19-11)20-12(21)8-4-5-8/h1-3,6-8,14H,4-5H2,(H,18,22)(H,19,20,21)
InChIKeyCBZJUGDVJUZDJY-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.88
Rot. Bonds6

About 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 71788429) has the molecular formula C15H13F2N3O4 and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID71788429
Molecular FormulaC15H13F2N3O4
Molecular Weight337.28 g/mol
Exact Mass337.09
IUPAC Name2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C15H13F2N3O4/c16-14(17)24-10-3-1-2-9(6-10)18-13(22)11-7-23-15(19-11)20-12(21)8-4-5-8/h1-3,6-8,14H,4-5H2,(H,18,22)(H,19,20,21)
InChIKeyCBZJUGDVJUZDJY-UHFFFAOYSA-N
XLogP2.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 47222176
2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 121110596
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
CID 56765163
N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
CID 121110560
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
CID 71785615
N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119033
2-(cyclopropanecarbonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 121110592

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (CID 71788429) is 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1coc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CBZJUGDVJUZDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O4/c16-14(17)24-10-3-1-2-9(6-10)18-13(22)11-7-23-15(19-11)20-12(21)8-4-5-8/h1-3,6-8,14H,4-5H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 337.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).