N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine

C14H15N5O — CID 97260630

IUPACN-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESC[C@H](Nc1nc2ccccc2o1)c1nnc2n1CCC2
InChIInChI=1S/C14H15N5O/c1-9(13-18-17-12-7-4-8-19(12)13)15-14-16-10-5-2-3-6-11(10)20-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyYADQJHHMCSMHHE-VIFPVBQESA-N
MW269.31 g/mol
LogP2.54
Rot. Bonds3

About N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine

N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine (PubChem CID 97260630) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine
PubChem CID97260630
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESC[C@H](Nc1nc2ccccc2o1)c1nnc2n1CCC2
InChIInChI=1S/C14H15N5O/c1-9(13-18-17-12-7-4-8-19(12)13)15-14-16-10-5-2-3-6-11(10)20-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyYADQJHHMCSMHHE-VIFPVBQESA-N
XLogP2.54
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-phenylethanamine
CID 43748158
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 60715577
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604
5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine
CID 75517708
6-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 62233467
3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133492824
N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 95155743
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43748039
N-[(2-bromophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43433211
4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 126772218
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine (CID 97260630) is N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine is C[C@H](Nc1nc2ccccc2o1)c1nnc2n1CCC2.
What is the InChIKey of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is YADQJHHMCSMHHE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(13-18-17-12-7-4-8-19(12)13)15-14-16-10-5-2-3-6-11(10)20-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine?
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 97260630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).