N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine

C17H22N2O — CID 65182302

IUPACN-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2cnc(CCNC3CC3)o2)cc1
InChIInChI=1S/C17H22N2O/c1-12(2)13-3-5-14(6-4-13)16-11-19-17(20-16)9-10-18-15-7-8-15/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyRNJLFTVNPUSNGE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.76
Rot. Bonds6

About N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (PubChem CID 65182302) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
PubChem CID65182302
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2cnc(CCNC3CC3)o2)cc1
InChIInChI=1S/C17H22N2O/c1-12(2)13-3-5-14(6-4-13)16-11-19-17(20-16)9-10-18-15-7-8-15/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyRNJLFTVNPUSNGE-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182106
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182553
N-[3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187330
N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187113
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182015
N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182490
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183620
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187137
N-[2-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182202

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (CID 65182302) is N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is CC(C)c1ccc(-c2cnc(CCNC3CC3)o2)cc1.
What is the InChIKey of N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is RNJLFTVNPUSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)13-3-5-14(6-4-13)16-11-19-17(20-16)9-10-18-15-7-8-15/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 270.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 65182302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).