N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide

C18H17N5O2 — CID 155522505

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C18H17N5O2/c1-11-16(12(2)25-22-11)10-23-9-15(8-20-23)21-18(24)14-3-4-17-13(7-14)5-6-19-17/h3-9,19H,10H2,1-2H3,(H,21,24)
InChIKeyYTCGMMVFHOHSAW-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.27
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide (PubChem CID 155522505) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide
PubChem CID155522505
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C18H17N5O2/c1-11-16(12(2)25-22-11)10-23-9-15(8-20-23)21-18(24)14-3-4-17-13(7-14)5-6-19-17/h3-9,19H,10H2,1-2H3,(H,21,24)
InChIKeyYTCGMMVFHOHSAW-UHFFFAOYSA-N
XLogP3.27
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide (CID 155522505) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide is Cc1noc(C)c1Cn1cc(NC(=O)c2ccc3[nH]ccc3c2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide?
The InChIKey is YTCGMMVFHOHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-16(12(2)25-22-11)10-23-9-15(8-20-23)21-18(24)14-3-4-17-13(7-14)5-6-19-17/h3-9,19H,10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 155522505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).