N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide

C24H29N2O5P — CID 86591382

IUPACN-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)CCc2c(C)noc2-c2ccccc2)cc1)OCC
InChIInChI=1S/C24H29N2O5P/c1-4-29-32(28,30-5-2)17-19-11-13-21(14-12-19)25-23(27)16-15-22-18(3)26-31-24(22)20-9-7-6-8-10-20/h6-14H,4-5,15-17H2,1-3H3,(H,25,27)
InChIKeyNAECSZZIQIOTQG-UHFFFAOYSA-N
MW456.48 g/mol
LogP5.99
Rot. Bonds11

About N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide

N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide (PubChem CID 86591382) has the molecular formula C24H29N2O5P and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
PubChem CID86591382
Molecular FormulaC24H29N2O5P
Molecular Weight456.48 g/mol
Exact Mass456.18
IUPAC NameN-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)CCc2c(C)noc2-c2ccccc2)cc1)OCC
InChIInChI=1S/C24H29N2O5P/c1-4-29-32(28,30-5-2)17-19-11-13-21(14-12-19)25-23(27)16-15-22-18(3)26-31-24(22)20-9-7-6-8-10-20/h6-14H,4-5,15-17H2,1-3H3,(H,25,27)
InChIKeyNAECSZZIQIOTQG-UHFFFAOYSA-N
XLogP5.99
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 22221010
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 10276319
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87890022
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]propanamide
CID 87890103
N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 87889786
3-[5-(4-chloro-3-fluorophenyl)-1,2-oxazol-4-yl]-N-[4-(diethoxyphosphorylmethyl)phenyl]propanamide
CID 87889750
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87889954
3-[2-(benzylamino)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[4-(diethoxyphosphorylmethyl)phenyl]propanamide
CID 87796915
2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride
CID 87467855
N-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 3827368
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889597

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide (CID 86591382) is N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide is CCOP(=O)(Cc1ccc(NC(=O)CCc2c(C)noc2-c2ccccc2)cc1)OCC.
What is the InChIKey of N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is NAECSZZIQIOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N2O5P/c1-4-29-32(28,30-5-2)17-19-11-13-21(14-12-19)25-23(27)16-15-22-18(3)26-31-24(22)20-9-7-6-8-10-20/h6-14H,4-5,15-17H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide?
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 456.48 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 86591382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).