2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone

C24H24N2O2 — CID 159581061

IUPAC2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H24N2O2/c27-23(24-14-21(26-28-24)19-4-2-1-3-5-19)12-16-8-10-18(11-9-16)20-13-22(20)25-15-17-6-7-17/h1-5,8-11,14,17,20,22,25H,6-7,12-13,15H2
InChIKeyMJAFHBINBBXGHC-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.62
Rot. Bonds8

About 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone

2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone (PubChem CID 159581061) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
PubChem CID159581061
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C24H24N2O2/c27-23(24-14-21(26-28-24)19-4-2-1-3-5-19)12-16-8-10-18(11-9-16)20-13-22(20)25-15-17-6-7-17/h1-5,8-11,14,17,20,22,25H,6-7,12-13,15H2
InChIKeyMJAFHBINBBXGHC-UHFFFAOYSA-N
XLogP4.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
CID 160904336
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 147385528
1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
CID 146685748
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide
CID 71260515
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N'-[[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 144605436
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 158404708
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide
CID 90214106
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride
CID 90214229
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide
CID 90214289
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone (CID 159581061) is 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone is O=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1cc(-c2ccccc2)no1.
What is the InChIKey of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is MJAFHBINBBXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23(24-14-21(26-28-24)19-4-2-1-3-5-19)12-16-8-10-18(11-9-16)20-13-22(20)25-15-17-6-7-17/h1-5,8-11,14,17,20,22,25H,6-7,12-13,15H2.
What are the key properties of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone?
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 372.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 159581061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).