N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C20H19N5O3 — CID 99874532

IUPACN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H19N5O3/c26-19(16-11-15(23-24-16)17-8-4-10-27-17)21-12-13-5-3-9-25(13)20-22-14-6-1-2-7-18(14)28-20/h1-2,4,6-8,10-11,13H,3,5,9,12H2,(H,21,26)(H,23,24)/t13-/m1/s1
InChIKeyCFYYXQPFDFCFMN-CYBMUJFWSA-N
MW377.40 g/mol
LogP3.21
Rot. Bonds5

About N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 99874532) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID99874532
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H19N5O3/c26-19(16-11-15(23-24-16)17-8-4-10-27-17)21-12-13-5-3-9-25(13)20-22-14-6-1-2-7-18(14)28-20/h1-2,4,6-8,10-11,13H,3,5,9,12H2,(H,21,26)(H,23,24)/t13-/m1/s1
InChIKeyCFYYXQPFDFCFMN-CYBMUJFWSA-N
XLogP3.21
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 99874532) is N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is CFYYXQPFDFCFMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-19(16-11-15(23-24-16)17-8-4-10-27-17)21-12-13-5-3-9-25(13)20-22-14-6-1-2-7-18(14)28-20/h1-2,4,6-8,10-11,13H,3,5,9,12H2,(H,21,26)(H,23,24)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99874532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).