N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine

C15H17N3O2 — CID 146170630

IUPACN-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine
SMILESCC1(C)CC(=NO)c2c(noc2Nc2ccccc2)C1
InChIInChI=1S/C15H17N3O2/c1-15(2)8-11(17-19)13-12(9-15)18-20-14(13)16-10-6-4-3-5-7-10/h3-7,16,19H,8-9H2,1-2H3
InChIKeyMQJZVPHQAODGNN-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.57
Rot. Bonds2

About N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine

N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine (PubChem CID 146170630) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine
PubChem CID146170630
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine
SMILESCC1(C)CC(=NO)c2c(noc2Nc2ccccc2)C1
InChIInChI=1S/C15H17N3O2/c1-15(2)8-11(17-19)13-12(9-15)18-20-14(13)16-10-6-4-3-5-7-10/h3-7,16,19H,8-9H2,1-2H3
InChIKeyMQJZVPHQAODGNN-UHFFFAOYSA-N
XLogP3.57
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine?
The IUPAC name of N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine (CID 146170630) is N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine is CC1(C)CC(=NO)c2c(noc2Nc2ccccc2)C1.
What is the InChIKey of N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine?
The InChIKey is MQJZVPHQAODGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2)8-11(17-19)13-12(9-15)18-20-14(13)16-10-6-4-3-5-7-10/h3-7,16,19H,8-9H2,1-2H3.
What are the key properties of N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine?
N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 146170630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).