N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C20H26N4O3 — CID 20950987

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(CN2CCCC2)on1
InChIInChI=1S/C20H26N4O3/c25-20(19-13-18(27-22-19)15-23-7-1-2-8-23)21-17-5-3-16(4-6-17)14-24-9-11-26-12-10-24/h3-6,13H,1-2,7-12,14-15H2,(H,21,25)
InChIKeyQUZUBQHNYGKRSN-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.35
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 20950987) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID20950987
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(CN2CCCC2)on1
InChIInChI=1S/C20H26N4O3/c25-20(19-13-18(27-22-19)15-23-7-1-2-8-23)21-17-5-3-16(4-6-17)14-24-9-11-26-12-10-24/h3-6,13H,1-2,7-12,14-15H2,(H,21,25)
InChIKeyQUZUBQHNYGKRSN-UHFFFAOYSA-N
XLogP2.35
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950962
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
N-(4-bromo-3-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950980
N-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950969
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950959
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 20950987) is N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(CN2CCCC2)on1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QUZUBQHNYGKRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-20(19-13-18(27-22-19)15-23-7-1-2-8-23)21-17-5-3-16(4-6-17)14-24-9-11-26-12-10-24/h3-6,13H,1-2,7-12,14-15H2,(H,21,25).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20950987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).