4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

C17H19N5O4 — CID 35534418

IUPAC4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C(N)=O)n1
InChIInChI=1S/C17H19N5O4/c1-4-22-8-13(15(20-22)16(18)23)19-17(24)14-6-5-11(25-14)7-12-9(2)21-26-10(12)3/h5-6,8H,4,7H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyGOOBHVNXYIZDPH-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.04
Rot. Bonds6

About 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 35534418) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID35534418
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C(N)=O)n1
InChIInChI=1S/C17H19N5O4/c1-4-22-8-13(15(20-22)16(18)23)19-17(24)14-6-5-11(25-14)7-12-9(2)21-26-10(12)3/h5-6,8H,4,7H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyGOOBHVNXYIZDPH-UHFFFAOYSA-N
XLogP2.04
TPSA129.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (CID 35534418) is 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C(N)=O)n1.
What is the InChIKey of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is GOOBHVNXYIZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-4-22-8-13(15(20-22)16(18)23)19-17(24)14-6-5-11(25-14)7-12-9(2)21-26-10(12)3/h5-6,8H,4,7H2,1-3H3,(H2,18,23)(H,19,24).
What are the key properties of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 35534418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).