5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile

C19H19N5O — CID 73253910

IUPAC5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2c2ccccc2)oc1NCCCn1ccnc1
InChIInChI=1S/C19H19N5O/c20-12-17-19(22-7-4-9-24-10-8-21-13-24)25-18(23-17)16-11-15(16)14-5-2-1-3-6-14/h1-3,5-6,8,10,13,15-16,22H,4,7,9,11H2
InChIKeyBVJCPUOLMPKJCZ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.52
Rot. Bonds7

About 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile

5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile (PubChem CID 73253910) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
PubChem CID73253910
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2c2ccccc2)oc1NCCCn1ccnc1
InChIInChI=1S/C19H19N5O/c20-12-17-19(22-7-4-9-24-10-8-21-13-24)25-18(23-17)16-11-15(16)14-5-2-1-3-6-14/h1-3,5-6,8,10,13,15-16,22H,4,7,9,11H2
InChIKeyBVJCPUOLMPKJCZ-UHFFFAOYSA-N
XLogP3.52
TPSA79.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethylphenoxy)methyl]-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile
CID 139582870
5-(3-imidazol-1-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
CID 16646379
5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
CID 16646329
1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea
CID 71931711
2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 139582687
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873394
5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
CID 73253923
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
CID 18825534

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile (CID 73253910) is 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2c2ccccc2)oc1NCCCn1ccnc1.
What is the InChIKey of 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is BVJCPUOLMPKJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-12-17-19(22-7-4-9-24-10-8-21-13-24)25-18(23-17)16-11-15(16)14-5-2-1-3-6-14/h1-3,5-6,8,10,13,15-16,22H,4,7,9,11H2.
What are the key properties of 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile?
5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 73253910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).