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

C14H15IN2O — CID 65182015

IUPACN-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESIc1cccc(-c2cnc(CCNC3CC3)o2)c1
InChIInChI=1S/C14H15IN2O/c15-11-3-1-2-10(8-11)13-9-17-14(18-13)6-7-16-12-4-5-12/h1-3,8-9,12,16H,4-7H2
InChIKeyRXSBNVCWGDVSNW-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.24
Rot. Bonds5

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

N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (PubChem CID 65182015) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
PubChem CID65182015
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC NameN-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESIc1cccc(-c2cnc(CCNC3CC3)o2)c1
InChIInChI=1S/C14H15IN2O/c15-11-3-1-2-10(8-11)13-9-17-14(18-13)6-7-16-12-4-5-12/h1-3,8-9,12,16H,4-7H2
InChIKeyRXSBNVCWGDVSNW-UHFFFAOYSA-N
XLogP3.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(3-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182490
3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187027
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182302
1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178557
N-[2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182106
N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183731
N-[3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 79690651
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-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
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-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (CID 65182015) is N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is Ic1cccc(-c2cnc(CCNC3CC3)o2)c1.
What is the InChIKey of N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is RXSBNVCWGDVSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c15-11-3-1-2-10(8-11)13-9-17-14(18-13)6-7-16-12-4-5-12/h1-3,8-9,12,16H,4-7H2.
What are the key properties of N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 354.19 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 65182015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).