(4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine

C15H17N3O — CID 177050060

IUPAC(4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine
SMILESN[C@H]1CCCc2oc(-c3ccnc(C4CC4)c3)nc21
InChIInChI=1S/C15H17N3O/c16-11-2-1-3-13-14(11)18-15(19-13)10-6-7-17-12(8-10)9-4-5-9/h6-9,11H,1-5,16H2/t11-/m0/s1
InChIKeyLRMQABYBCRFUJF-NSHDSACASA-N
MW255.32 g/mol
LogP2.95
Rot. Bonds2

About (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine

(4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine (PubChem CID 177050060) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine
PubChem CID177050060
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine
SMILESN[C@H]1CCCc2oc(-c3ccnc(C4CC4)c3)nc21
InChIInChI=1S/C15H17N3O/c16-11-2-1-3-13-14(11)18-15(19-13)10-6-7-17-12(8-10)9-4-5-9/h6-9,11H,1-5,16H2/t11-/m0/s1
InChIKeyLRMQABYBCRFUJF-NSHDSACASA-N
XLogP2.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 177049874
N-[2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177051662
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl]-1,5-bis(trifluoromethyl)pyrazole-4-carboxamide
CID 177051638
5-cyclopropyl-2-methyl-1,2,4-triazole-3-carboxamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 177051212
4-azido-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole
CID 177050071
N-[(4R)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177296237
N-[(7S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethyl)benzamide
CID 177051161
5-[2-(oxan-4-yl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
CID 146388614
N-[2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051796
(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine
CID 166761000
2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 177050089
3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-amine
CID 69447545

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine?
The IUPAC name of (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine (CID 177050060) is (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine.
What is the SMILES notation for (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine?
The canonical SMILES for (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine is N[C@H]1CCCc2oc(-c3ccnc(C4CC4)c3)nc21.
What is the InChIKey of (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine?
The InChIKey is LRMQABYBCRFUJF-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O/c16-11-2-1-3-13-14(11)18-15(19-13)10-6-7-17-12(8-10)9-4-5-9/h6-9,11H,1-5,16H2/t11-/m0/s1.
What are the key properties of (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine?
(4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-amine is sourced from PubChem (CID 177050060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).