N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide

C21H21N3O4 — CID 126442870

IUPACN-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3cc(C)no3)cc2)o1
InChIInChI=1S/C21H21N3O4/c1-13-12-19(28-23-13)16-4-3-11-24(16)21(26)15-7-5-14(6-8-15)17-9-10-18(27-17)20(25)22-2/h5-10,12,16H,3-4,11H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyZYCCCPYVSQQNON-MRXNPFEDSA-N
MW379.42 g/mol
LogP3.58
Rot. Bonds4

About N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide

N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 126442870) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID126442870
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3cc(C)no3)cc2)o1
InChIInChI=1S/C21H21N3O4/c1-13-12-19(28-23-13)16-4-3-11-24(16)21(26)15-7-5-14(6-8-15)17-9-10-18(27-17)20(25)22-2/h5-10,12,16H,3-4,11H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyZYCCCPYVSQQNON-MRXNPFEDSA-N
XLogP3.58
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92893460
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090
(3-amino-4-bromophenyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 61109953
(3,6-dimethyl-1-benzofuran-2-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 97116953
1-benzothiophen-5-yl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 70759416
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
(5-bromo-3-methylfuran-2-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 47287763
[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 118784040

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 126442870) is N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide is CNC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3cc(C)no3)cc2)o1.
What is the InChIKey of N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is ZYCCCPYVSQQNON-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-12-19(28-23-13)16-4-3-11-24(16)21(26)15-7-5-14(6-8-15)17-9-10-18(27-17)20(25)22-2/h5-10,12,16H,3-4,11H2,1-2H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 126442870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).