4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide

C23H23N5O2 — CID 26278315

IUPAC4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H23N5O2/c1-16-21(30-15-26-16)23(29)25-14-20-27-19-12-6-5-11-18(19)22(28-20)24-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,25,29)(H,24,27,28)
InChIKeyPXBIYRQOFLAWBD-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.90
Rot. Bonds8

About 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 26278315) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID26278315
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H23N5O2/c1-16-21(30-15-26-16)23(29)25-14-20-27-19-12-6-5-11-18(19)22(28-20)24-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,25,29)(H,24,27,28)
InChIKeyPXBIYRQOFLAWBD-UHFFFAOYSA-N
XLogP3.90
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide (CID 26278315) is 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is PXBIYRQOFLAWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-21(30-15-26-16)23(29)25-14-20-27-19-12-6-5-11-18(19)22(28-20)24-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,25,29)(H,24,27,28).
What are the key properties of 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 26278315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).