2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

C16H16N4O3 — CID 97427988

IUPAC2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C16H16N4O3/c21-16(7-14-13-3-1-2-4-15(13)23-19-14)18-11-8-17-20(9-11)12-5-6-22-10-12/h1-4,8-9,12H,5-7,10H2,(H,18,21)/t12-/m0/s1
InChIKeyMMXJFNJVRCRBPM-LBPRGKRZSA-N
MW312.33 g/mol
LogP2.17
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (PubChem CID 97427988) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
PubChem CID97427988
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C16H16N4O3/c21-16(7-14-13-3-1-2-4-15(13)23-19-14)18-11-8-17-20(9-11)12-5-6-22-10-12/h1-4,8-9,12H,5-7,10H2,(H,18,21)/t12-/m0/s1
InChIKeyMMXJFNJVRCRBPM-LBPRGKRZSA-N
XLogP2.17
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516
2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428055
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 99903598
2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 51095081
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
CID 71810092
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
CID 97428021

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (CID 97427988) is 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is O=C(Cc1noc2ccccc12)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is MMXJFNJVRCRBPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-16(7-14-13-3-1-2-4-15(13)23-19-14)18-11-8-17-20(9-11)12-5-6-22-10-12/h1-4,8-9,12H,5-7,10H2,(H,18,21)/t12-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 97427988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).