[1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane

C28H29N2O2P — CID 102053559

IUPAC[1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane
SMILESCOCn1c(P(c2ccccc2)c2ccccc2)c(C2=N[C@H](C(C)C)CO2)c2ccccc21
InChIInChI=1S/C28H29N2O2P/c1-20(2)24-18-32-27(29-24)26-23-16-10-11-17-25(23)30(19-31-3)28(26)33(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-17,20,24H,18-19H2,1-3H3/t24-/m0/s1
InChIKeyNABWWEGBSODEIJ-DEOSSOPVSA-N
MW456.53 g/mol
LogP4.80
Rot. Bonds7

About [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane

[1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane (PubChem CID 102053559) has the molecular formula C28H29N2O2P and a molecular weight of 456.53 g/mol. Its IUPAC name is [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane
PubChem CID102053559
Molecular FormulaC28H29N2O2P
Molecular Weight456.53 g/mol
Exact Mass456.20
IUPAC Name[1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane
SMILESCOCn1c(P(c2ccccc2)c2ccccc2)c(C2=N[C@H](C(C)C)CO2)c2ccccc21
InChIInChI=1S/C28H29N2O2P/c1-20(2)24-18-32-27(29-24)26-23-16-10-11-17-25(23)30(19-31-3)28(26)33(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-17,20,24H,18-19H2,1-3H3/t24-/m0/s1
InChIKeyNABWWEGBSODEIJ-DEOSSOPVSA-N
XLogP4.80
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2R)-oxan-2-yl]-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane
CID 57381053
diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 170897578
CID 11136491
CID 11136491
dichlororuthenium;diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;triphenylphosphane
CID 11040094
CID 25144125
CID 25144125
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
CID 11605813
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004
(1R)-1-[(4R)-2-(2-diphenylphosphanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethanol
CID 11494541
(1Z,5Z)-cycloocta-1,5-diene;diphenyl-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1-benzothiophen-2-yl]phosphane;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 11170887
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
CID 139261079

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
The IUPAC name of [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane (CID 102053559) is [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane is COCn1c(P(c2ccccc2)c2ccccc2)c(C2=N[C@H](C(C)C)CO2)c2ccccc21.
What is the InChIKey of [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
The InChIKey is NABWWEGBSODEIJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H29N2O2P/c1-20(2)24-18-32-27(29-24)26-23-16-10-11-17-25(23)30(19-31-3)28(26)33(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-17,20,24H,18-19H2,1-3H3/t24-/m0/s1.
What are the key properties of [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane?
[1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane has a molecular weight of 456.53 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)-3-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]indol-2-yl]-diphenylphosphane is sourced from PubChem (CID 102053559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).