3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one

C19H24N4O3 — CID 99970845

IUPAC3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
SMILESCC[C@H](O)c1cc2n(n1)CCCN(CCn1c(=O)oc3ccccc31)C2
InChIInChI=1S/C19H24N4O3/c1-2-17(24)15-12-14-13-21(8-5-9-23(14)20-15)10-11-22-16-6-3-4-7-18(16)26-19(22)25/h3-4,6-7,12,17,24H,2,5,8-11,13H2,1H3/t17-/m0/s1
InChIKeyRAXUTHQXMQRYDC-KRWDZBQOSA-N
MW356.43 g/mol
LogP2.14
Rot. Bonds5

About 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one

3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 99970845) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
PubChem CID99970845
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
SMILESCC[C@H](O)c1cc2n(n1)CCCN(CCn1c(=O)oc3ccccc31)C2
InChIInChI=1S/C19H24N4O3/c1-2-17(24)15-12-14-13-21(8-5-9-23(14)20-15)10-11-22-16-6-3-4-7-18(16)26-19(22)25/h3-4,6-7,12,17,24H,2,5,8-11,13H2,1H3/t17-/m0/s1
InChIKeyRAXUTHQXMQRYDC-KRWDZBQOSA-N
XLogP2.14
TPSA76.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one 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

3-[2-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 91760764
3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 90650176
3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 118795752
3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 77081794
3-[2-(3-oxopiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 34182716
1-[5-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 91771597
1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone
CID 99979313
1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyridin-2-ylsulfanylethanone
CID 90649979
3-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 34199927
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
1-[5-(2,2-diphenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 90653195
3-[2-[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethyl]-1,3-benzoxazol-2-one
CID 77091507

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one (CID 99970845) is 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one is CC[C@H](O)c1cc2n(n1)CCCN(CCn1c(=O)oc3ccccc31)C2.
What is the InChIKey of 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is RAXUTHQXMQRYDC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-17(24)15-12-14-13-21(8-5-9-23(14)20-15)10-11-22-16-6-3-4-7-18(16)26-19(22)25/h3-4,6-7,12,17,24H,2,5,8-11,13H2,1H3/t17-/m0/s1.
What are the key properties of 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one?
3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 356.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 99970845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).