N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide

C22H26N4O3 — CID 135527123

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(-c2oncc2-c2ccc(OC)cc2)c[nH]1
InChIInChI=1S/C22H26N4O3/c1-3-26-10-4-5-17(26)13-24-22(27)20-11-16(12-23-20)21-19(14-25-29-21)15-6-8-18(28-2)9-7-15/h6-9,11-12,14,17,23H,3-5,10,13H2,1-2H3,(H,24,27)
InChIKeyCZGHNYHHOVIMNJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.56
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide (PubChem CID 135527123) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide
PubChem CID135527123
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(-c2oncc2-c2ccc(OC)cc2)c[nH]1
InChIInChI=1S/C22H26N4O3/c1-3-26-10-4-5-17(26)13-24-22(27)20-11-16(12-23-20)21-19(14-25-29-21)15-6-8-18(28-2)9-7-15/h6-9,11-12,14,17,23H,3-5,10,13H2,1-2H3,(H,24,27)
InChIKeyCZGHNYHHOVIMNJ-UHFFFAOYSA-N
XLogP3.56
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 135469480
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 94173368
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 67133299
4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135527075
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71701198
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42582555
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide
CID 126428928
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-3H-benzotriazole-5-carboxamide
CID 135624031
(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide
CID 10781908
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97426636
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55436122

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide (CID 135527123) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide is CCN1CCCC1CNC(=O)c1cc(-c2oncc2-c2ccc(OC)cc2)c[nH]1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is CZGHNYHHOVIMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-26-10-4-5-17(26)13-24-22(27)20-11-16(12-23-20)21-19(14-25-29-21)15-6-8-18(28-2)9-7-15/h6-9,11-12,14,17,23H,3-5,10,13H2,1-2H3,(H,24,27).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135527123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).