3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine

C16H22N4O2 — CID 158401773

IUPAC3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine
SMILESCCCc1cc(C#N)on1.CCCc1cc(C2(N)CC2)on1
InChIInChI=1S/C9H14N2O.C7H8N2O/c1-2-3-7-6-8(12-11-7)9(10)4-5-9;1-2-3-6-4-7(5-8)10-9-6/h6H,2-5,10H2,1H3;4H,2-3H2,1H3
InChIKeyGYEOUUXZVFVEIE-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.07
Rot. Bonds5

About 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine

3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine (PubChem CID 158401773) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine
PubChem CID158401773
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine
SMILESCCCc1cc(C#N)on1.CCCc1cc(C2(N)CC2)on1
InChIInChI=1S/C9H14N2O.C7H8N2O/c1-2-3-7-6-8(12-11-7)9(10)4-5-9;1-2-3-6-4-7(5-8)10-9-6/h6H,2-5,10H2,1H3;4H,2-3H2,1H3
InChIKeyGYEOUUXZVFVEIE-UHFFFAOYSA-N
XLogP3.07
TPSA101.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine?
The IUPAC name of 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine (CID 158401773) is 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine is CCCc1cc(C#N)on1.CCCc1cc(C2(N)CC2)on1.
What is the InChIKey of 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine?
The InChIKey is GYEOUUXZVFVEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C7H8N2O/c1-2-3-7-6-8(12-11-7)9(10)4-5-9;1-2-3-6-4-7(5-8)10-9-6/h6H,2-5,10H2,1H3;4H,2-3H2,1H3.
What are the key properties of 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine?
3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine has a molecular weight of 302.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 158401773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).