3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide

C18H20N4O3 — CID 167929245

IUPAC3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)CCc1nc2ccccc2o1
InChIInChI=1S/C18H20N4O3/c1-22-14(8-10-19-22)18-13(9-11-24-18)20-16(23)6-7-17-21-12-4-2-3-5-15(12)25-17/h2-5,8,10,13,18H,6-7,9,11H2,1H3,(H,20,23)/t13-,18-/m0/s1
InChIKeySMNHGAHOFZOUBA-UGSOOPFHSA-N
MW340.38 g/mol
LogP2.14
Rot. Bonds5

About 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide

3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide (PubChem CID 167929245) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
PubChem CID167929245
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)CCc1nc2ccccc2o1
InChIInChI=1S/C18H20N4O3/c1-22-14(8-10-19-22)18-13(9-11-24-18)20-16(23)6-7-17-21-12-4-2-3-5-15(12)25-17/h2-5,8,10,13,18H,6-7,9,11H2,1H3,(H,20,23)/t13-,18-/m0/s1
InChIKeySMNHGAHOFZOUBA-UGSOOPFHSA-N
XLogP2.14
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128970664
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
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2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128986317
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
CID 154744650
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
CID 119213480
(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987637
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide
CID 56812770
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
5-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128986488

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide (CID 167929245) is 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide is Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)CCc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
The InChIKey is SMNHGAHOFZOUBA-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22-14(8-10-19-22)18-13(9-11-24-18)20-16(23)6-7-17-21-12-4-2-3-5-15(12)25-17/h2-5,8,10,13,18H,6-7,9,11H2,1H3,(H,20,23)/t13-,18-/m0/s1.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide is sourced from PubChem (CID 167929245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).