4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide

C15H16F2N4O3 — CID 2739649

IUPAC4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide
SMILESCc1noc(NC(=O)NC(=O)c2cc(F)c(N(C)C)c(F)c2)c1C
InChIInChI=1S/C15H16F2N4O3/c1-7-8(2)20-24-14(7)19-15(23)18-13(22)9-5-10(16)12(21(3)4)11(17)6-9/h5-6H,1-4H3,(H2,18,19,22,23)
InChIKeyJVJPCBCASNXNSG-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.60
Rot. Bonds3

About 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide

4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide (PubChem CID 2739649) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide
PubChem CID2739649
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide
SMILESCc1noc(NC(=O)NC(=O)c2cc(F)c(N(C)C)c(F)c2)c1C
InChIInChI=1S/C15H16F2N4O3/c1-7-8(2)20-24-14(7)19-15(23)18-13(22)9-5-10(16)12(21(3)4)11(17)6-9/h5-6H,1-4H3,(H2,18,19,22,23)
InChIKeyJVJPCBCASNXNSG-UHFFFAOYSA-N
XLogP2.60
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide?
The IUPAC name of 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide (CID 2739649) is 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide is Cc1noc(NC(=O)NC(=O)c2cc(F)c(N(C)C)c(F)c2)c1C.
What is the InChIKey of 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide?
The InChIKey is JVJPCBCASNXNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c1-7-8(2)20-24-14(7)19-15(23)18-13(22)9-5-10(16)12(21(3)4)11(17)6-9/h5-6H,1-4H3,(H2,18,19,22,23).
What are the key properties of 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide?
4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide has a molecular weight of 338.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide is sourced from PubChem (CID 2739649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).