N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C19H17N5O2 — CID 709605

IUPACN-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1
InChIInChI=1S/C19H17N5O2/c1-11(2)13-5-8-16-15(9-13)23-19(26-16)12-3-6-14(7-4-12)22-18(25)17-20-10-21-24-17/h3-11H,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyBKEXJFXCLZFGNN-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.99
Rot. Bonds4

About N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 709605) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID709605
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1
InChIInChI=1S/C19H17N5O2/c1-11(2)13-5-8-16-15(9-13)23-19(26-16)12-3-6-14(7-4-12)22-18(25)17-20-10-21-24-17/h3-11H,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyBKEXJFXCLZFGNN-UHFFFAOYSA-N
XLogP3.99
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 117606729
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 834177
N-[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 2211247
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 2954481
2-Benzyl-N-methyl-N-[(4-methyl-1H-imidazol-2-YL)methyl]-1,3-benzoxazole-5-carboxamide
CID 24791476
1-[2-[[5-(Anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazol-6-yl]propan-1-one
CID 62705667
(NZ)-N-[1-[2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazol-5-yl]propylidene]hydroxylamine
CID 62705838
1-[2-[[5-(Anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazol-5-yl]-2-methylpropan-1-one
CID 62706013
N-[[4-ethyl-5-[(5-ethyl-1,3-benzoxazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline
CID 70684238
5-[4-Amino-1-(cyclopentylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 127045862
3-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155541005
2-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-benzoxazol-5-yl]-N-methylacetamide
CID 155548932

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 709605) is N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide is CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BKEXJFXCLZFGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11(2)13-5-8-16-15(9-13)23-19(26-16)12-3-6-14(7-4-12)22-18(25)17-20-10-21-24-17/h3-11H,1-2H3,(H,22,25)(H,20,21,24).
What are the key properties of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).