N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C23H30N2O3 — CID 25110484

IUPACN,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1
InChIInChI=1S/C23H30N2O3/c1-27-20-14-12-17(13-15-20)22-16-21(24-28-22)23(26)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-16,18-19H,2-11H2,1H3
InChIKeyRFMKOOPRTSYQNO-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.46
Rot. Bonds5

About N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 25110484) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID25110484
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1
InChIInChI=1S/C23H30N2O3/c1-27-20-14-12-17(13-15-20)22-16-21(24-28-22)23(26)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-16,18-19H,2-11H2,1H3
InChIKeyRFMKOOPRTSYQNO-UHFFFAOYSA-N
XLogP5.46
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 25110484) is N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1.
What is the InChIKey of N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RFMKOOPRTSYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-27-20-14-12-17(13-15-20)22-16-21(24-28-22)23(26)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-16,18-19H,2-11H2,1H3.
What are the key properties of N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25110484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).