(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide

C18H17N3O2 — CID 34336748

IUPAC(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c19-17(22)16(11-4-2-1-3-5-11)20-13-8-9-15-14(10-13)21-18(23-15)12-6-7-12/h1-5,8-10,12,16,20H,6-7H2,(H2,19,22)/t16-/m0/s1
InChIKeyIITJWXZONPNPRD-INIZCTEOSA-N
MW307.35 g/mol
LogP3.34
Rot. Bonds5

About (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide

(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide (PubChem CID 34336748) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
PubChem CID34336748
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c19-17(22)16(11-4-2-1-3-5-11)20-13-8-9-15-14(10-13)21-18(23-15)12-6-7-12/h1-5,8-10,12,16,20H,6-7H2,(H2,19,22)/t16-/m0/s1
InChIKeyIITJWXZONPNPRD-INIZCTEOSA-N
XLogP3.34
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 55620148
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 34336590
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
CID 46424456
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide (CID 34336748) is (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide is NC(=O)[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide?
The InChIKey is IITJWXZONPNPRD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-17(22)16(11-4-2-1-3-5-11)20-13-8-9-15-14(10-13)21-18(23-15)12-6-7-12/h1-5,8-10,12,16,20H,6-7H2,(H2,19,22)/t16-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide?
(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide has a molecular weight of 307.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide is sourced from PubChem (CID 34336748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).