N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide

C23H33N3O5 — CID 7271474

IUPACN-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@@H](C(=O)N(CCCOC)Cc1nc(C(=O)NCCCOC)co1)c1ccccc1
InChIInChI=1S/C23H33N3O5/c1-4-19(18-10-6-5-7-11-18)23(28)26(13-9-15-30-3)16-21-25-20(17-31-21)22(27)24-12-8-14-29-2/h5-7,10-11,17,19H,4,8-9,12-16H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyFIRUXWYTOBGNOV-LJQANCHMSA-N
MW431.53 g/mol
LogP3.00
Rot. Bonds14

About N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 7271474) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID7271474
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC NameN-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@@H](C(=O)N(CCCOC)Cc1nc(C(=O)NCCCOC)co1)c1ccccc1
InChIInChI=1S/C23H33N3O5/c1-4-19(18-10-6-5-7-11-18)23(28)26(13-9-15-30-3)16-21-25-20(17-31-21)22(27)24-12-8-14-29-2/h5-7,10-11,17,19H,4,8-9,12-16H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyFIRUXWYTOBGNOV-LJQANCHMSA-N
XLogP3.00
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.00
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

N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-phenylacetyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3454944
2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 5037359
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(phenylcarbamoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3920716
2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 4567958
2-[[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3436571
2-[[(3-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 3945915
ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
CID 3624648
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 3993680
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654856
2-[[(2-chloro-2-phenylacetyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 4637822
2-[[(4-chloro-3-nitrobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 42766204

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 7271474) is N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide is CC[C@@H](C(=O)N(CCCOC)Cc1nc(C(=O)NCCCOC)co1)c1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FIRUXWYTOBGNOV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-4-19(18-10-6-5-7-11-18)23(28)26(13-9-15-30-3)16-21-25-20(17-31-21)22(27)24-12-8-14-29-2/h5-7,10-11,17,19H,4,8-9,12-16H2,1-3H3,(H,24,27)/t19-/m1/s1.
What are the key properties of N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 3.00, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 7271474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).