N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine

C17H17N2O4P — CID 118329922

IUPACN-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine
SMILESO=P(Nc1ccon1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17N2O4P/c20-24(19-17-11-12-21-18-17,22-13-15-7-3-1-4-8-15)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19,20)
InChIKeyCXQPESUXDUACIH-UHFFFAOYSA-N
MW344.31 g/mol
LogP4.63
Rot. Bonds8

About N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine

N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine (PubChem CID 118329922) has the molecular formula C17H17N2O4P and a molecular weight of 344.31 g/mol. Its IUPAC name is N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine
PubChem CID118329922
Molecular FormulaC17H17N2O4P
Molecular Weight344.31 g/mol
Exact Mass344.09
IUPAC NameN-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine
SMILESO=P(Nc1ccon1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17N2O4P/c20-24(19-17-11-12-21-18-17,22-13-15-7-3-1-4-8-15)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19,20)
InChIKeyCXQPESUXDUACIH-UHFFFAOYSA-N
XLogP4.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-iodosulfanylethoxy-(1,2-oxazol-3-ylamino)phosphoryl]oxyethyl thiohypoiodite
CID 144908597
sodium;bis(phenylmethoxy)phosphorylcyanamide;hydride
CID 173399282
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
dibenzyl hydrogen phosphate;silver
CID 85301331
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-(hydroxymethyl)-N-(1,2-oxazol-3-yl)benzamide
CID 163613647
[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
CID 71724313
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
[chloro(nitro)phosphoryl]oxymethylbenzene
CID 174417021
bis(phenylmethoxy)phosphorylformonitrile
CID 57241641
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 16596743

Frequently Asked Questions

What is the IUPAC name of N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine?
The IUPAC name of N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine (CID 118329922) is N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine.
What is the SMILES notation for N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine?
The canonical SMILES for N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine is O=P(Nc1ccon1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine?
The InChIKey is CXQPESUXDUACIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2O4P/c20-24(19-17-11-12-21-18-17,22-13-15-7-3-1-4-8-15)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19,20).
What are the key properties of N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine?
N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine has a molecular weight of 344.31 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(phenylmethoxy)phosphoryl-1,2-oxazol-3-amine is sourced from PubChem (CID 118329922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).