(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine

C22H28N2O — CID 10497117

IUPAC(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine
SMILESC=CCN(CC=C)[C@@H]1C=C[C@](C)(C2=NC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C22H28N2O/c1-6-14-24(15-7-2)19-12-13-22(5,18-11-9-8-10-17(18)19)20-23-21(3,4)16-25-20/h6-13,19H,1-2,14-16H2,3-5H3/t19-,22+/m1/s1
InChIKeyIQCFMERVQTYJBV-KNQAVFIVSA-N
MW336.48 g/mol
LogP4.44
Rot. Bonds6

About (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine

(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine (PubChem CID 10497117) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine.

Molecular Properties

Compound Name(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine
PubChem CID10497117
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine
SMILESC=CCN(CC=C)[C@@H]1C=C[C@](C)(C2=NC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C22H28N2O/c1-6-14-24(15-7-2)19-12-13-22(5,18-11-9-8-10-17(18)19)20-23-21(3,4)16-25-20/h6-13,19H,1-2,14-16H2,3-5H3/t19-,22+/m1/s1
InChIKeyIQCFMERVQTYJBV-KNQAVFIVSA-N
XLogP4.44
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(1R)-2-methyl-1-[(2S)-oxolan-2-yl]-3,4-dihydro-1H-isoquinoline
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(1S)-2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline
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CID 135139404
(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 143066051
(4S)-2-tert-butyl-4-[2-[2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine?
The IUPAC name of (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine (CID 10497117) is (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine.
What is the SMILES notation for (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine?
The canonical SMILES for (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine is C=CCN(CC=C)[C@@H]1C=C[C@](C)(C2=NC(C)(C)CO2)c2ccccc21.
What is the InChIKey of (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine?
The InChIKey is IQCFMERVQTYJBV-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H28N2O/c1-6-14-24(15-7-2)19-12-13-22(5,18-11-9-8-10-17(18)19)20-23-21(3,4)16-25-20/h6-13,19H,1-2,14-16H2,3-5H3/t19-,22+/m1/s1.
What are the key properties of (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine?
(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine has a molecular weight of 336.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine is sourced from PubChem (CID 10497117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).