N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine

C23H29N5O2 — CID 56658604

IUPACN-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESc1ccc(-c2nc(C(NCCCn3ccnc3)C3CC3)oc2N2CCOCC2)cc1
InChIInChI=1S/C23H29N5O2/c1-2-5-18(6-3-1)21-23(28-13-15-29-16-14-28)30-22(26-21)20(19-7-8-19)25-9-4-11-27-12-10-24-17-27/h1-3,5-6,10,12,17,19-20,25H,4,7-9,11,13-16H2
InChIKeyPGSGXKMUPHJASX-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.51
Rot. Bonds9

About N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 56658604) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID56658604
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESc1ccc(-c2nc(C(NCCCn3ccnc3)C3CC3)oc2N2CCOCC2)cc1
InChIInChI=1S/C23H29N5O2/c1-2-5-18(6-3-1)21-23(28-13-15-29-16-14-28)30-22(26-21)20(19-7-8-19)25-9-4-11-27-12-10-24-17-27/h1-3,5-6,10,12,17,19-20,25H,4,7-9,11,13-16H2
InChIKeyPGSGXKMUPHJASX-UHFFFAOYSA-N
XLogP3.51
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 56658604) is N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine is c1ccc(-c2nc(C(NCCCn3ccnc3)C3CC3)oc2N2CCOCC2)cc1.
What is the InChIKey of N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is PGSGXKMUPHJASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-5-18(6-3-1)21-23(28-13-15-29-16-14-28)30-22(26-21)20(19-7-8-19)25-9-4-11-27-12-10-24-17-27/h1-3,5-6,10,12,17,19-20,25H,4,7-9,11,13-16H2.
What are the key properties of N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 407.52 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 56658604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).