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

C16H18N4O — CID 103123448

IUPACN-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCn1nc(-c2cnc(CCNC3CC3)o2)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-20-13-5-3-2-4-12(13)16(19-20)14-10-18-15(21-14)8-9-17-11-6-7-11/h2-5,10-11,17H,6-9H2,1H3
InChIKeyKQXJRLIBXCZHDY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.52
Rot. Bonds5

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

N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (PubChem CID 103123448) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
PubChem CID103123448
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCn1nc(-c2cnc(CCNC3CC3)o2)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-20-13-5-3-2-4-12(13)16(19-20)14-10-18-15(21-14)8-9-17-11-6-7-11/h2-5,10-11,17H,6-9H2,1H3
InChIKeyKQXJRLIBXCZHDY-UHFFFAOYSA-N
XLogP2.52
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nemiralisib
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2-(6-(1H-Indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole hydrochloride
CID 49784084
2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
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WS 30581A
CID 125075
2-Ethyl-5-(3-indolyl)oxazole
CID 127008
2-Isobutyl-5-(3-indolyl)oxazole
CID 637460
2-n-Pentyl-5-(3-indolyl)oxazole
CID 5250460
2-butyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24791010
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24791739
2-(2-fluorobenzyl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24794129
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24793866

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (CID 103123448) is N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is Cn1nc(-c2cnc(CCNC3CC3)o2)c2ccccc21.
What is the InChIKey of N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is KQXJRLIBXCZHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-13-5-3-2-4-12(13)16(19-20)14-10-18-15(21-14)8-9-17-11-6-7-11/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 282.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-methylindazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 103123448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).