N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H20N4O2 — CID 51392315

IUPACN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)c1noc2c1CCCC2
InChIInChI=1S/C15H20N4O2/c1-9(12-8-19(3)17-10(12)2)16-15(20)14-11-6-4-5-7-13(11)21-18-14/h8-9H,4-7H2,1-3H3,(H,16,20)/t9-/m0/s1
InChIKeyACRLJCNKTCYCCS-VIFPVBQESA-N
MW288.35 g/mol
LogP2.09
Rot. Bonds3

About N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 51392315) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID51392315
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)c1noc2c1CCCC2
InChIInChI=1S/C15H20N4O2/c1-9(12-8-19(3)17-10(12)2)16-15(20)14-11-6-4-5-7-13(11)21-18-14/h8-9H,4-7H2,1-3H3,(H,16,20)/t9-/m0/s1
InChIKeyACRLJCNKTCYCCS-VIFPVBQESA-N
XLogP2.09
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19466708
N-butan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079297
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 86878186
(2S,3S)-3-methyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)pentanoic acid
CID 119194301
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947641
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56700663
(2S)-2-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)acetic acid
CID 97310654

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 51392315) is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1nn(C)cc1[C@H](C)NC(=O)c1noc2c1CCCC2.
What is the InChIKey of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is ACRLJCNKTCYCCS-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(12-8-19(3)17-10(12)2)16-15(20)14-11-6-4-5-7-13(11)21-18-14/h8-9H,4-7H2,1-3H3,(H,16,20)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 51392315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).