N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine

C21H22N2O3 — CID 10807777

IUPACN-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2c(c1)CCC2CNO
InChIInChI=1S/C21H22N2O3/c1-14-20(23-21(26-14)15-5-3-2-4-6-15)13-25-18-9-10-19-16(11-18)7-8-17(19)12-22-24/h2-6,9-11,17,22,24H,7-8,12-13H2,1H3
InChIKeyWRBXAPYPZYPKRV-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.24
Rot. Bonds6

About N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine

N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine (PubChem CID 10807777) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
PubChem CID10807777
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2c(c1)CCC2CNO
InChIInChI=1S/C21H22N2O3/c1-14-20(23-21(26-14)15-5-3-2-4-6-15)13-25-18-9-10-19-16(11-18)7-8-17(19)12-22-24/h2-6,9-11,17,22,24H,7-8,12-13H2,1H3
InChIKeyWRBXAPYPZYPKRV-UHFFFAOYSA-N
XLogP4.24
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]hydroxylamine
CID 10784998
N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 142856032
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10569860
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
ethyl 2-[(1S)-5-[2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 86598051
N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine
CID 10667246
7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 69279617
2-[2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10091852
2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)amino]acetic acid
CID 69374432
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine?
The IUPAC name of N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine (CID 10807777) is N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine is Cc1oc(-c2ccccc2)nc1COc1ccc2c(c1)CCC2CNO.
What is the InChIKey of N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine?
The InChIKey is WRBXAPYPZYPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-20(23-21(26-14)15-5-3-2-4-6-15)13-25-18-9-10-19-16(11-18)7-8-17(19)12-22-24/h2-6,9-11,17,22,24H,7-8,12-13H2,1H3.
What are the key properties of N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine?
N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine has a molecular weight of 350.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine is sourced from PubChem (CID 10807777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).