(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole

C29H43NO2 — CID 71422736

IUPAC(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCOc1ccc2cc(C3=N[C@H](CC)CO3)ccc2c1
InChIInChI=1S/C29H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-31-28-19-18-24-21-26(17-16-25(24)22-28)29-30-27(4-2)23-32-29/h16-19,21-22,27H,3-15,20,23H2,1-2H3/t27-/m1/s1
InChIKeyWSSKTMQQERNEGA-HHHXNRCGSA-N
MW437.67 g/mol
LogP8.48
Rot. Bonds16

About (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole

(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 71422736) has the molecular formula C29H43NO2 and a molecular weight of 437.67 g/mol. Its IUPAC name is (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID71422736
Molecular FormulaC29H43NO2
Molecular Weight437.67 g/mol
Exact Mass437.33
IUPAC Name(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCOc1ccc2cc(C3=N[C@H](CC)CO3)ccc2c1
InChIInChI=1S/C29H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-31-28-19-18-24-21-26(17-16-25(24)22-28)29-30-27(4-2)23-32-29/h16-19,21-22,27H,3-15,20,23H2,1-2H3/t27-/m1/s1
InChIKeyWSSKTMQQERNEGA-HHHXNRCGSA-N
XLogP8.48
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 142009009
(4R)-4-(octadecoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 10025678
4-(6-octoxynaphthalen-2-yl)pyridin-1-ium tetrafluoroborate
CID 87769794
5-bromo-2-(6-decoxynaphthalen-2-yl)pyrimidine
CID 139665367
1,3,6,8-tetrakis(6-hexoxynaphthalen-2-yl)pyrene
CID 102054330
2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581
5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136694445
2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene
CID 20500667
2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene
CID 19912563
4-[2-(4-butoxyphenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 19041140

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole (CID 71422736) is (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole is CCCCCCCCCCCCCCOc1ccc2cc(C3=N[C@H](CC)CO3)ccc2c1.
What is the InChIKey of (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is WSSKTMQQERNEGA-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-31-28-19-18-24-21-26(17-16-25(24)22-28)29-30-27(4-2)23-32-29/h16-19,21-22,27H,3-15,20,23H2,1-2H3/t27-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole?
(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 437.67 g/mol, XLogP of 8.48, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71422736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).