N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

C21H23N5O4 — CID 118714279

IUPACN-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ncoc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N5O4/c1-29-15-9-7-14(8-10-15)24-20(27)17-16(11-23-26-17)25-21(28)18-19(30-12-22-18)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyMLJSTZOBGVWFLQ-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.00
Rot. Bonds6

About N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 118714279) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID118714279
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ncoc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N5O4/c1-29-15-9-7-14(8-10-15)24-20(27)17-16(11-23-26-17)25-21(28)18-19(30-12-22-18)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyMLJSTZOBGVWFLQ-UHFFFAOYSA-N
XLogP3.00
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 118714279) is N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ncoc2-c2ccccc2)CC1.
What is the InChIKey of N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is MLJSTZOBGVWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-29-15-9-7-14(8-10-15)24-20(27)17-16(11-23-26-17)25-21(28)18-19(30-12-22-18)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118714279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).