N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide

C22H30N2O4 — CID 66545717

IUPACN,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2coc(CCO)c2)on1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H30N2O4/c25-12-11-19-13-16(15-27-19)21-14-20(23-28-21)22(26)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h13-15,17-18,25H,1-12H2
InChIKeyZQQVWJWFNMDTTC-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.58
Rot. Bonds6

About N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide

N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 66545717) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID66545717
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2coc(CCO)c2)on1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H30N2O4/c25-12-11-19-13-16(15-27-19)21-14-20(23-28-21)22(26)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h13-15,17-18,25H,1-12H2
InChIKeyZQQVWJWFNMDTTC-UHFFFAOYSA-N
XLogP4.58
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dicyclohexyl-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 57339499
N,N-dicyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253281
N,N-dicyclohexyl-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,2-oxazole-3-carboxamide
CID 57336472
5-[4-(aminomethyl)phenyl]-N,N-dicyclohexyl-1,2-oxazole-3-carboxamide;2,3-dihydroxybutanedioic acid
CID 57339524
N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide
CID 56955976
5-[3-(aminomethyl)phenyl]-N,N-dicyclohexyl-1,2-oxazole-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 57383458
N-cyclohexyl-5-(furan-2-yl)-N-(3-propan-2-ylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 70702275
5-(aminomethyl)-N,N-dicyclohexyl-1,2-oxazole-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56965820
tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 56965834
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70743438
N-cyclohexyl-5-cyclopropyl-N-(4-propylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56973396

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide (CID 66545717) is N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2coc(CCO)c2)on1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZQQVWJWFNMDTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c25-12-11-19-13-16(15-27-19)21-14-20(23-28-21)22(26)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h13-15,17-18,25H,1-12H2.
What are the key properties of N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide?
N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66545717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).