N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine

C15H18N2O3S — CID 65182490

IUPACN-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCS(=O)(=O)c1cccc(-c2cnc(CCNC3CC3)o2)c1
InChIInChI=1S/C15H18N2O3S/c1-21(18,19)13-4-2-3-11(9-13)14-10-17-15(20-14)7-8-16-12-5-6-12/h2-4,9-10,12,16H,5-8H2,1H3
InChIKeyAJLBOICJVCNGHA-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.04
Rot. Bonds6

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

N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (PubChem CID 65182490) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
PubChem CID65182490
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCS(=O)(=O)c1cccc(-c2cnc(CCNC3CC3)o2)c1
InChIInChI=1S/C15H18N2O3S/c1-21(18,19)13-4-2-3-11(9-13)14-10-17-15(20-14)7-8-16-12-5-6-12/h2-4,9-10,12,16H,5-8H2,1H3
InChIKeyAJLBOICJVCNGHA-UHFFFAOYSA-N
XLogP2.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182106
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182015
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182302
N-[3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187330
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
N-[2-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182202
N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187137
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 34237447
N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 103123448
N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 107100479
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (CID 65182490) is N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is CS(=O)(=O)c1cccc(-c2cnc(CCNC3CC3)o2)c1.
What is the InChIKey of N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is AJLBOICJVCNGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-21(18,19)13-4-2-3-11(9-13)14-10-17-15(20-14)7-8-16-12-5-6-12/h2-4,9-10,12,16H,5-8H2,1H3.
What are the key properties of N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 306.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 65182490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).