N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide

C25H29N3O2 — CID 56513346

IUPACN-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C25H29N3O2/c1-27(16-10-15-22-19-23(26-30-22)20-11-4-2-5-12-20)25(29)24(28-17-8-9-18-28)21-13-6-3-7-14-21/h2-7,11-14,19,24H,8-10,15-18H2,1H3
InChIKeyKKSGWRGDTBEOJK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.57
Rot. Bonds8

About N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide

N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 56513346) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide
PubChem CID56513346
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C25H29N3O2/c1-27(16-10-15-22-19-23(26-30-22)20-11-4-2-5-12-20)25(29)24(28-17-8-9-18-28)21-13-6-3-7-14-21/h2-7,11-14,19,24H,8-10,15-18H2,1H3
InChIKeyKKSGWRGDTBEOJK-UHFFFAOYSA-N
XLogP4.57
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
CID 95280776
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
CID 120791531
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000
N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 51106001
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
CID 119314286
3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
CID 120610036
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
CID 119314301
4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide
CID 120628071

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide (CID 56513346) is N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide is CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(c1ccccc1)N1CCCC1.
What is the InChIKey of N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is KKSGWRGDTBEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-27(16-10-15-22-19-23(26-30-22)20-11-4-2-5-12-20)25(29)24(28-17-8-9-18-28)21-13-6-3-7-14-21/h2-7,11-14,19,24H,8-10,15-18H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide?
N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 403.53 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 56513346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).